CID 3064856

1-propanaminium, 3-((2-chlorophenyl)amino)-2-hydroxy-n,n-dimethyl-n-(1-methylethyl)-, iodide, (+-)-

Structural Information

Molecular Formula
C14H24ClN2O
SMILES
CC(C)[N+](C)(C)CC(CNC1=CC=CC=C1Cl)O
InChI
InChI=1S/C14H24ClN2O/c1-11(2)17(3,4)10-12(18)9-16-14-8-6-5-7-13(14)15/h5-8,11-12,16,18H,9-10H2,1-4H3/q+1
InChIKey
MWEQVKVSDBACEK-UHFFFAOYSA-N
Compound name
[3-(2-chloroanilino)-2-hydroxypropyl]-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16498 162.4
[M+Na]+ 294.14692 167.2
[M-H]- 270.15042 165.6
[M+NH4]+ 289.19152 179.1
[M+K]+ 310.12086 158.3
[M+H-H2O]+ 254.15496 159.8
[M+HCOO]- 316.15590 179.0
[M+CH3COO]- 330.17155 198.2
[M+Na-2H]- 292.13237 167.9
[M]+ 271.15715 163.0
[M]- 271.15825 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.